3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide

C7H11F6N3O — CID 103369275

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide
SMILESCN(CC(C(N)=NO)C(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H11F6N3O/c1-16(3-6(8,9)10)2-4(5(14)15-17)7(11,12)13/h4,17H,2-3H2,1H3,(H2,14,15)
InChIKeyRFCMWOWRVGHQNU-UHFFFAOYSA-N
MW267.17 g/mol
LogP1.41
Rot. Bonds4

About 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide (PubChem CID 103369275) has the molecular formula C7H11F6N3O and a molecular weight of 267.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide
PubChem CID103369275
Molecular FormulaC7H11F6N3O
Molecular Weight267.17 g/mol
Exact Mass267.08
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide
SMILESCN(CC(C(N)=NO)C(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H11F6N3O/c1-16(3-6(8,9)10)2-4(5(14)15-17)7(11,12)13/h4,17H,2-3H2,1H3,(H2,14,15)
InChIKeyRFCMWOWRVGHQNU-UHFFFAOYSA-N
XLogP1.41
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide (CID 103369275) is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide is CN(CC(C(N)=NO)C(F)(F)F)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide?
The InChIKey is RFCMWOWRVGHQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6N3O/c1-16(3-6(8,9)10)2-4(5(14)15-17)7(11,12)13/h4,17H,2-3H2,1H3,(H2,14,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide has a molecular weight of 267.17 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).